MMsINC Database Search


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MMsINC code: MMs01457883

Type: Neutral
Formula: C₂₀H₃₀N₂O₄

SMILES:

O(C(=O)C(NC(=O)c1ccccc1)C(C)C)CC(=O)N(C(C)C)C(C)C

InChI:

InChI=1/C20H30N2O4/c1-13(2)18(21-19(24)16-10-8-7-9-11-16)20(25)26-12-17(23)22(14(3)4)15(5)6/h7-11,13-15,18H,12H2,1-6H3,(H,21,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9245 kcal/mol

Physical Properties
Molecular Weight: 362.47 g/mol	logS: -4.04535	SlogP: 2.6296	Reactive groups: 0

Topological Properties
Globularity: 0.0508299	Sterimol/B1: 2.32049	Sterimol/B2: 3.17678	Sterimol/B3: 4.55312
Sterimol/B4: 7.78431	Sterimol/L: 18.1786

Surface and Volume Properties
Accessible surface: 659.974	Positive charged surface: 421.773	Negative charged surface: 238.201	Volume: 371.5
Hydrophobic surface: 484.832	Hydrophilic surface: 175.142

Pharmacophoric Properties
Hydrogen bond donors: 1	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.