MMsINC Database Search


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MMsINC code: MMs00210455

Type: Neutral
Formula: C₂₄H₂₃N₃O₂

SMILES:

O=C(N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1)c1cccnc1

InChI:

InChI=1/C24H23N3O2/c28-23(21-12-7-13-25-18-21)26-14-16-27(17-15-26)24(29)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,22H,14-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.612 kcal/mol

Physical Properties
Molecular Weight: 385.467 g/mol	logS: -3.85413	SlogP: 3.1981	Reactive groups: 0

Topological Properties
Globularity: 0.148172	Sterimol/B1: 3.58825	Sterimol/B2: 4.08738	Sterimol/B3: 5.61231
Sterimol/B4: 6.97575	Sterimol/L: 17.0771

Surface and Volume Properties
Accessible surface: 647.432	Positive charged surface: 422.503	Negative charged surface: 224.929	Volume: 379.75
Hydrophobic surface: 577.445	Hydrophilic surface: 69.987

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.