MMsINC Database Search


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MMsINC code: MMs00963011

Type: Neutral
Formula: C₂₅H₂₄N₂O₂

SMILES:

O=C1N(c2ccc(cc2)CC)C(=O)N(c2c1cccc2)Cc1cc(ccc1C)C

InChI:

InChI=1/C25H24N2O2/c1-4-19-11-13-21(14-12-19)27-24(28)22-7-5-6-8-23(22)26(25(27)29)16-20-15-17(2)9-10-18(20)3/h5-15H,4,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.396 kcal/mol

Physical Properties
Molecular Weight: 384.479 g/mol	logS: -7.25466	SlogP: 5.91921	Reactive groups: 0

Topological Properties
Globularity: 0.176321	Sterimol/B1: 2.99265	Sterimol/B2: 4.34897	Sterimol/B3: 5.44131
Sterimol/B4: 8.8009	Sterimol/L: 15.6083

Surface and Volume Properties
Accessible surface: 667.227	Positive charged surface: 391.876	Negative charged surface: 275.351	Volume: 385.75
Hydrophobic surface: 589.452	Hydrophilic surface: 77.775

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.