MMsINC Database Search


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MMsINC code: MMs01214995

Type: Neutral
Formula: C₂₄H₃₂N₂O₄

SMILES:

O(C(=O)c1n(C)c(C)c(C(=O)C(N(C(=O)c2ccc(cc2)CC)C(C)C)C)c1C)C

InChI:

InChI=1/C24H32N2O4/c1-9-18-10-12-19(13-11-18)23(28)26(14(2)3)17(6)22(27)20-15(4)21(24(29)30-8)25(7)16(20)5/h10-14,17H,9H2,1-8H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=302.326 kcal/mol

Physical Properties
Molecular Weight: 412.53 g/mol	logS: -4.84078	SlogP: 4.47211	Reactive groups: 0

Topological Properties
Globularity: 0.16857	Sterimol/B1: 3.85386	Sterimol/B2: 4.20142	Sterimol/B3: 4.70495
Sterimol/B4: 8.45822	Sterimol/L: 15.4594

Surface and Volume Properties
Accessible surface: 673.751	Positive charged surface: 465.005	Negative charged surface: 208.746	Volume: 409.625
Hydrophobic surface: 532.043	Hydrophilic surface: 141.708

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.