MMsINC Database Search


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MMsINC code: MMs01799075

Type: Neutral
Formula: C₂₃H₂₇N₃O₂

SMILES:

O(C)c1cc(N2CCN(CC2)CC(=O)n2c3c(cccc3)c(C)c2C)ccc1

InChI:

InChI=1/C23H27N3O2/c1-17-18(2)26(22-10-5-4-9-21(17)22)23(27)16-24-11-13-25(14-12-24)19-7-6-8-20(15-19)28-3/h4-10,15H,11-14,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=199.268 kcal/mol

Physical Properties
Molecular Weight: 377.488 g/mol	logS: -4.24882	SlogP: 3.72914	Reactive groups: 0

Topological Properties
Globularity: 0.0351257	Sterimol/B1: 2.79027	Sterimol/B2: 3.4557	Sterimol/B3: 3.52476
Sterimol/B4: 7.52594	Sterimol/L: 19.4611

Surface and Volume Properties
Accessible surface: 664.012	Positive charged surface: 454.193	Negative charged surface: 204.013	Volume: 378.625
Hydrophobic surface: 613.212	Hydrophilic surface: 50.8

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.