MMsINC Database Search


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MMsINC code: MMs01216095

Type: Neutral
Formula: C₂₄H₃₅N₃O₂

SMILES:

O=C(N(CC(C)C)CC(=O)N(Cc1n(ccc1)C)CC(C)C)c1ccccc1C

InChI:

InChI=1/C24H35N3O2/c1-18(2)14-26(16-21-11-9-13-25(21)6)23(28)17-27(15-19(3)4)24(29)22-12-8-7-10-20(22)5/h7-13,18-19H,14-17H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3202 kcal/mol

Physical Properties
Molecular Weight: 397.563 g/mol	logS: -3.68507	SlogP: 4.74212	Reactive groups: 0

Topological Properties
Globularity: 0.365963	Sterimol/B1: 2.21623	Sterimol/B2: 5.40772	Sterimol/B3: 7.34963
Sterimol/B4: 8.15912	Sterimol/L: 13.7509

Surface and Volume Properties
Accessible surface: 667.767	Positive charged surface: 454.779	Negative charged surface: 212.987	Volume: 426.375
Hydrophobic surface: 549.829	Hydrophilic surface: 117.938

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.